Base information
| Cat. No. | |
| CAS No. | 126717-60-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H12BrNO |
| Molecular Weight | 278.144 |
| Exact Mass | 277.01 |
| XLogP3 | 3.7315 |
| Mr | 67.882 |
| PSA | 22.12 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 29 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | Brc1ccc(nc1C)OCc1ccccc1 |
